SCHEMBL21964597

SCHEMBL21964597

CNC(=O)c1cc([N+](=O)[O-])nn1CCC1CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAP3K14 Q99558 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.37
BRD4 O60885 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21960356 0.86 ALDH1A1 (0.41) MEN1KMT2ALMNAGAAMAPT
SCHEMBL21960851 0.81 MAP3K14 (0.39) MAP3K14BRD4
SCHEMBL21964580 0.79 BRD4 (0.40) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL23880180 0.79 ALDH1A1 (0.48) MEN1KMT2ALMNAGAAMAPT
SCHEMBL6476531 0.77 BAZ2B (0.42) MEN1KMT2ALMNAGAAMAPT
SCHEMBL17796618 0.70 BRD4 (0.40) MEN1KMT2ALMNAGAAMAPT
SCHEMBL21960887 0.70 BRD4 (0.43) MEN1KMT2ALMNAGAAMAPT
SCHEMBL21960873 0.69 KMT2A (0.35) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL25509745 0.69 HTT (0.43) MEN1KMT2ALMNAGAAMAPT
SCHEMBL25313659 0.69 HTT (0.43) MEN1KMT2ALMNAGAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP disclosed